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Information card for entry 2228077
Preview
Coordinates | 2228077.cif |
---|---|
Structure factors | 2228077.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] |
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Formula | C14 H8 Cd N2 O4 |
Calculated formula | C14 H8 Cd N2 O4 |
SMILES | [Cd]123(OC(=O)C(=O)O1)([n]1cccc4ccc5ccc[n]2c5c14)[O]=C1C(=[O][Cd]2(O1)[n]1cccc4ccc5ccc[n]2c5c14)O3 |
Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] |
Authors of publication | Lv, Yao-Kang; Gan, Li-Hua; Cao, Yong-Jie; Gao, Biao-Feng; Chen, Liu-Hua |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | m1440 |
a | 9.7199 ± 0.0002 Å |
b | 10.3338 ± 0.0002 Å |
c | 13.1638 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1322.22 ± 0.04 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0612 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228077.html
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